2-(Boc-amino)-4-chloro-3-iodopyridine - CAS 868733-96-4

Catalog:	BB038103
Product Name:	2-(Boc-amino)-4-chloro-3-iodopyridine
CAS:	868733-96-4
Synonyms:	N-(4-chloro-3-iodo-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(4-chloro-3-iodopyridin-2-yl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-chloro-3-iodopyridin-2-yl)carbamate
Description:	2-(Boc-amino)-4-chloro-3-iodopyridine (CAS# 868733-96-4 ) is a useful research chemical.
Molecular Weight:	354.57
Molecular Formula:	C10H12ClIN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=CC(=C1I)Cl
InChI:	InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChI Key:	ZLCXGKTUUXLBNT-UHFFFAOYSA-N
LogP:	3.70020

Publication Number	Title	Priority Date
US-2015218165-A1	Tetracyclic cdk9 kinase inhibitors	20140206
US-9328112-B2	Tetracyclic CDK9 kinase inhibitors	20140206
WO-2015119712-A1	Tetracyclic cdk9 kinase inhibitors	20140206
AU-2014234077-A1	Pyrrolo[2,3-b]pyridine CDK9 kinase inhibitors	20130314
EP-2970264-A1	Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors	20130314

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Related Functional Groups

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[856848-33-4]
2-Amino-4,5-dibromopyridine
[4926-28-7]
2-Bromo-4-methylpyridine
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	353.9632
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	353.9632
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3